1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine

C13H17N5 — CID 120971911

IUPAC1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine
SMILESCc1cccc2[nH]c(CNC3=NCCN3C)nc12
InChIInChI=1S/C13H17N5/c1-9-4-3-5-10-12(9)17-11(16-10)8-15-13-14-6-7-18(13)2/h3-5H,6-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQHICHIYSETUXPM-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.26
Rot. Bonds2

About 1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine

1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 120971911) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine
PubChem CID120971911
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine
SMILESCc1cccc2[nH]c(CNC3=NCCN3C)nc12
InChIInChI=1S/C13H17N5/c1-9-4-3-5-10-12(9)17-11(16-10)8-15-13-14-6-7-18(13)2/h3-5H,6-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQHICHIYSETUXPM-UHFFFAOYSA-N
XLogP1.26
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133415002
2-(chloromethyl)-4-methyl-1H-benzimidazole
CID 12953834
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472
2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462208
N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine
CID 133414897
N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 26722492
5,6-dimethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133414992
2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 133414956
2-benzyl-4-methyl-1H-benzimidazole
CID 12948781
5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70783218
N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 122097052
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970551

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine (CID 120971911) is 1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine is Cc1cccc2[nH]c(CNC3=NCCN3C)nc12.
What is the InChIKey of 1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is QHICHIYSETUXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9-4-3-5-10-12(9)17-11(16-10)8-15-13-14-6-7-18(13)2/h3-5H,6-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine?
1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 243.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120971911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).